Details of the Drug

General Information of Drug (ID: DMS10LE)

Drug Name

1-cyclohexyl-1-isopropyl-3,3-dimethylselenourea

Synonyms

CHEMBL399930; 1-cyclohexyl-1-isopropyl-3,3-dimethylselenourea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

275.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Chemical Identifiers

Formula: C12H24N2Se
IUPAC Name: 1-cyclohexyl-3,3-dimethyl-1-propan-2-ylselenourea
Canonical SMILES: CC(C)N(C1CCCCC1)C(=[Se])N(C)C
InChI: InChI=1S/C12H24N2Se/c1-10(2)14(12(15)13(3)4)11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3
InChIKey: WEFWDSQOLMAXHJ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Facile one-pot synthesis of thio and selenourea derivatives: a new class of potent urease inhibitors. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6387-91.